2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)-2-phenyl-acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-3-4-14-25-20(27)23-24-21(25)29-18(15-8-6-5-7-9-15)19(26)22-16-10-12-17(28-2)13-11-16/h5-13,18H,3-4,14H2,1-2H3,(H,22,26)(H,23,27)